CID 12440775

(3-bromopropyl)dimethylamine hydrobromide

Structural Information

Molecular Formula
C5H12BrN
SMILES
CN(C)CCCBr
InChI
InChI=1S/C5H12BrN/c1-7(2)5-3-4-6/h3-5H2,1-2H3
InChIKey
BIWJXEPRNRDVPB-UHFFFAOYSA-N
Compound name
3-bromo-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

319
Patents

165.0153 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.02258 129.0
[M+Na]+ 188.00452 139.4
[M-H]- 164.00802 133.5
[M+NH4]+ 183.04912 153.5
[M+K]+ 203.97846 130.7
[M+H-H2O]+ 148.01256 129.2
[M+HCOO]- 210.01350 151.9
[M+CH3COO]- 224.02915 183.2
[M+Na-2H]- 185.98997 137.0
[M]+ 165.01475 148.5
[M]- 165.01585 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe